Geometry & MOs

Info

ID:	365022
PubChem CID:	127316672
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	3.97
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations